2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane

C15H22N2 — CID 117028706

IUPAC2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(N2CCC3(CCNC3)C2)c1C
InChIInChI=1S/C15H22N2/c1-12-4-3-5-14(13(12)2)17-9-7-15(11-17)6-8-16-10-15/h3-5,16H,6-11H2,1-2H3
InChIKeyDWIOGPBJSCBTNQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane

2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 117028706) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
PubChem CID117028706
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(N2CCC3(CCNC3)C2)c1C
InChIInChI=1S/C15H22N2/c1-12-4-3-5-14(13(12)2)17-9-7-15(11-17)6-8-16-10-15/h3-5,16H,6-11H2,1-2H3
InChIKeyDWIOGPBJSCBTNQ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
2-chloro-6-(2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
CID 112740359
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
CID 112740364
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
5-(2,7-diazaspiro[4.4]nonan-2-yl)-1,2-oxazole
CID 10081310
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908194
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
CID 117028734
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane (CID 117028706) is 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane is Cc1cccc(N2CCC3(CCNC3)C2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is DWIOGPBJSCBTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-4-3-5-14(13(12)2)17-9-7-15(11-17)6-8-16-10-15/h3-5,16H,6-11H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane?
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 230.36 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 117028706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).